Compound Detail
CHEMBL3752512
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Basic Information
| ChEMBL ID | CHEMBL3752512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOZDJSANCQUJOB-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
257.4
MW (Da)
3.37
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1B) dopamine receptor CHEMBL1850 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.35 | 7.35 | 45.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 7.22 | 7.22 | 60.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.73 | 6.73 | 188.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1B) dopamine receptor | Ki | = | 3.0 | nM | 8.52 | Binding affinity to human cloned D5 dopamine receptor incubated for 90 mins by r... | - |
| D(3) dopamine receptor | Ki | = | 24.0 | nM | 7.62 | Binding affinity to human cloned D3 dopamine receptor incubated for 90 mins by r... | - |
| D(2) dopamine receptor | Ki | = | 45.0 | nM | 7.35 | Displacement of [3H]spiperone from human cloned D2 dopamine receptor incubated f... | - |
| D(1A) dopamine receptor | Ki | = | 60.0 | nM | 7.22 | Displacement of [3H]SCH-23390 from human cloned D1 dopamine receptor incubated f... | - |
| D(4) dopamine receptor | Ki | = | 188.0 | nM | 6.73 | Binding affinity to human cloned D4 dopamine receptor incubated for 90 mins by r... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00258C | D(1A) dopamine receptor | 2 |
| - | 10.1039/C5MD00258C | D(2) dopamine receptor | 2 |
| - | 10.1039/C5MD00258C | D(1B) dopamine receptor | 2 |
| - | 10.1039/C5MD00258C | D(4) dopamine receptor | 1 |
| - | 10.1039/C5MD00258C | D(3) dopamine receptor | 1 |
| - | 10.1039/C5MD00258C | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine